Compound Detail
CHEMBL3951645
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(OC2CCN(c3nc4c(nc3NC3CCC3)CN(C(=O)N(C)C)CC4)CC2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3951645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GENCHWDTLHDGDV-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
3.68
ALogP
7
HBA
1
HBD
83.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 6 CHEMBL3714130 | IC50 | 10.49 | 10.49 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 6 | IC50 | = | 0.0325 | nM | 10.49 | GPR6 In Vitro Assay (A.1): This cell based assay measures the ability of compoun... | - |
Data from ChEMBL 36 via Core Engine